3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide

C19H22N2O3 — CID 53284317

IUPAC3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H22N2O3/c1-4-17(24-16-9-8-12(2)13(3)10-16)19(23)21-15-7-5-6-14(11-15)18(20)22/h5-11,17H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyDSGIFNGPVVWLTL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.20
Rot. Bonds6

About 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide

3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide (PubChem CID 53284317) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
PubChem CID53284317
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H22N2O3/c1-4-17(24-16-9-8-12(2)13(3)10-16)19(23)21-15-7-5-6-14(11-15)18(20)22/h5-11,17H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyDSGIFNGPVVWLTL-UHFFFAOYSA-N
XLogP3.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94019557
methyl 3-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94026950
N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 46763093
2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43905698
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
CID 132652172
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
methyl 3-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 53289013
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide?
The IUPAC name of 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide (CID 53284317) is 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide?
The canonical SMILES for 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide?
The InChIKey is DSGIFNGPVVWLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-17(24-16-9-8-12(2)13(3)10-16)19(23)21-15-7-5-6-14(11-15)18(20)22/h5-11,17H,4H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide?
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 53284317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).